CAS Number90481-77-9
Synonyms1H-Indole,3-bromo-1-[(4-methylphenyl)sulfonyl]; 3-BROMO-1-(P-TOLUENESULFONYL)INDOLE; 3-bromo-1-tosylindole; 3-bromo-N-tosylindole; 3-bromo-1-(4-toluenesulfonyl)indole; 3-Bromo-1-tosyl-1H-indole; 3-Bromo-N-(p-toluenesulfonyl)indole; 3-bromo-1-(toluene-4-sulfonyl)-1H-indole
Molecular FormulaC15H12BrNO2S
Molecular Weight350.23000
Density1.51 g/cm3
Boiling Point502.8ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 90481-77-9 |
| Catalog No. | 2A-1168890 |
| Chinese Name | 3-溴-N-(对甲苯磺酰基)吲哚 |
| Synonyms | 1H-Indole,3-bromo-1-[(4-methylphenyl)sulfonyl]; 3-BROMO-1-(P-TOLUENESULFONYL)INDOLE; 3-bromo-1-tosylindole; 3-bromo-N-tosylindole; 3-bromo-1-(4-toluenesulfonyl)indole; 3-Bromo-1-tosyl-1H-indole; 3-Bromo-N-(p-toluenesulfonyl)indole; 3-bromo-1-(toluene-4-sulfonyl)-1H-indole |
| Molecular Formula | C15H12BrNO2S |
| Molecular Weight | 350.23000 |
| Density | 1.51 g/cm3 |
| Boiling Point | 502.8ºC at 760 mmHg |
| HTC | 2933990090 |
| PubChem ID | 16292720 |
| SMILES | Cc1ccc(S(=O)(=O)n2cc(Br)c3ccccc32)cc1 |
| InChI | InChI=1S/C15H12BrNO2S/c1-11-6-8-12(9-7-11)20(18,19)17-10-14(16)13-4-2-3-5-15(13)17/h2-10H,1H3 |
| InChI Key | VQWIINXTMHBRDW-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C15H12BrNO2S Molecular weight:350.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide, sulfur oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information HS Code 2933990090 Synthetic Route 1-(4-METHYLBENZ... CAS#:31271-90-6 3-BroMo-1-tosyl... CAS#:90481-77-9 Literature: Harrington, Peter J.; Hegedus, Louis S. Journal of Organic Chemistry, 1984 , vol. 49, # 14 p. 2658 - 2662 3-Bromoindole CAS#:1484-27-1 Tosyl chloride CAS#:98-59-9 3-BroMo-1-tosyl... CAS#:90481-77-9 Literature: Toray Industries, Inc. Patent: US6642228 B1, 2003 ; Location in patent: Page/Page column 76 ; CAS#:120-72-9 3-BroMo-1-tosyl... CAS#:90481-77-9 Literature: Hodson, Harold F.; Madge, David J.; Slawin, Alexandra N. Z.; Widdowson, David A.; Williams, David J. Tetrahedron, 1994 , vol. 50, # 6 p. 1899 - 1906 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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